SCHEMBL21267928

SCHEMBL21267928

CCOC(=O)c1c(C)nc2cccc(OC3CCC(I)CC3)c2c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
GRK6 P43250 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL619405 0.92 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17730201 0.91 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL620595 0.91 ACHE (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL620400 0.91 ACHE (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL619093 0.89 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17730209 0.87 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL621407 0.84 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL620978 0.84 KDM4E (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17730200 0.84 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL618842 0.84 TSHR (0.39) GABRPGABRDGABRA1GABRB1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 EP disclosed